[(E)-1-(decanoylamino)-2-oxidanyl-octadec-3-enyl] 2-dimethylaminoethyl hydrogen phosphate

Systemtic Name: [(E)-1-(decanoylamino)-2-oxidanyl-octadec-3-enyl] 2-dimethylaminoethyl hydrogen phosphate Openeye Name: [(E)-1-(decanoylamino)-2-hydroxy-octadec-3-enyl] 2-dimethylaminoethyl hydrogen phosphate CAS Name: 2-dimethylaminoethyl [(E)-2-hydroxy-1-(1-oxodecylamino)octadec-3-enyl] hydrogen phosphate IUPAC Name: [(E)-1-(decanoylamino)-2-hydroxyoctadec-3-enyl] 2-dimethylaminoethyl hydrogen phosphate Traditional Name: [(E)-1-(caprylamino)-2-hydroxy-octadec-3-enyl] 2-dimethylaminoethyl hydrogen phosphate Formula: C32H65N2O6P MolecularWeight: 604.842061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC(C(NC(=O)CCCCCCCCC)OP(=O)(O)OCCN(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCCCCCC)OP(=O)(O)OCCN(C)C)O

InChI

InChI=1S/C32H65N2O6P/c1-5-7-9-11-13-14-15-16-17-18-19-21-22-24-26-30(35)32(40-41(37,38)39-29-28-34(3)4)33-31(36)27-25-23-20-12-10-8-6-2/h24,26,30,32,35H,5-23,25,27-29H2,1-4H3,(H,33,36)(H,37,38)/b26-24+